SCHEMBL9105759

SCHEMBL9105759

COc1ccc(C(=O)N(NC(C)(C)C)C(=O)c2ccc3c(c2C)OCCO3)c(OC)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
RAB9A P51151 2/20 0.38
NPC1 O15118 2/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
HSD17B10 Q99714 4/20 0.36
HPGD P15428 3/20 0.36
TSHR P16473 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HTT P42858 3/20 0.36
ALDH1A1 P00352 3/20 0.36
SLC2A1 P11166 2/20 0.32
NNMT P40261 1/20 0.32
ADRA2A P08913 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32
ADRA1D P25100 1/20 0.32
ADRA1A P35348 1/20 0.32
ADRA1B P35368 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL667668 0.83 ABCB1 (0.39) POLBTDP1RAB9ANPC1MEN1
SCHEMBL9905363 0.79 PLK1 (0.40) POLBRAB9ANPC1MEN1KMT2A
SCHEMBL5705240 0.77 NPC1 (0.39) RAB9ANPC1HPGDSMN1; SMN2HTT
SCHEMBL18091876 0.73 CTNNB1 (0.46) RAB9ANPC1HPGDTSHRSMN1; SMN2
SCHEMBL17416601 0.70 PLK1 (0.38) RAB9ANPC1MEN1KMT2AHSD17B10
SCHEMBL9102042 0.70 PLK1 (0.38) RAB9ANPC1MEN1KMT2AHSD17B10
SCHEMBL9236827 0.69 CTNNB1 (0.48) POLBRAB9ANPC1MEN1KMT2A
SCHEMBL20563025 0.68 KDM4E (0.50) POLBTDP1RAB9ANPC1MEN1
SCHEMBL9101301 0.67 TP53 (0.43) TDP1RAB9ANPC1MEN1KMT2A
SCHEMBL14764988 0.66 ABCB1 (0.34) TDP1RAB9ANPC1MEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2463269-A1 Bioavailable diacylhydrazine ligands for modulating the expression of exogenous genes via an ecdysone receptor complex Intrexon Corporation (US) 2012-06-13 EP disclosed
EP-2460786-A1 Bioavailable diacylhydrazine ligands for modulating the expression of exogenous genes via an ecdysone receptor complex Intrexon Corporation (US) 2012-06-06 EP disclosed